bromozinc(1+);N-(phenylmethyl)-N-propylpropan-1-amine

C13H20BrNZn — CID 146001766

IUPACbromozinc(1+);N-(phenylmethyl)-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1[c-]cccc1.[Zn+]Br
InChIInChI=1S/C13H20N.BrH.Zn/c1-3-10-14(11-4-2)12-13-8-6-5-7-9-13;;/h5-8H,3-4,10-12H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyMUGWQNSYZAHXMG-UHFFFAOYSA-M
MW335.60 g/mol
LogP3.95
Rot. Bonds6

About bromozinc(1+);N-(phenylmethyl)-N-propylpropan-1-amine

bromozinc(1+);N-(phenylmethyl)-N-propylpropan-1-amine (PubChem CID 146001766) has the molecular formula C13H20BrNZn and a molecular weight of 335.60 g/mol. Its IUPAC name is bromozinc(1+);N-(phenylmethyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Namebromozinc(1+);N-(phenylmethyl)-N-propylpropan-1-amine
PubChem CID146001766
Molecular FormulaC13H20BrNZn
Molecular Weight335.60 g/mol
Exact Mass333.01
IUPAC Namebromozinc(1+);N-(phenylmethyl)-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1[c-]cccc1.[Zn+]Br
InChIInChI=1S/C13H20N.BrH.Zn/c1-3-10-14(11-4-2)12-13-8-6-5-7-9-13;;/h5-8H,3-4,10-12H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyMUGWQNSYZAHXMG-UHFFFAOYSA-M
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.60
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);N-(phenylmethyl)-N-propylpropan-1-amine?
The IUPAC name of bromozinc(1+);N-(phenylmethyl)-N-propylpropan-1-amine (CID 146001766) is bromozinc(1+);N-(phenylmethyl)-N-propylpropan-1-amine.
What is the SMILES notation for bromozinc(1+);N-(phenylmethyl)-N-propylpropan-1-amine?
The canonical SMILES for bromozinc(1+);N-(phenylmethyl)-N-propylpropan-1-amine is CCCN(CCC)Cc1[c-]cccc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);N-(phenylmethyl)-N-propylpropan-1-amine?
The InChIKey is MUGWQNSYZAHXMG-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H20N.BrH.Zn/c1-3-10-14(11-4-2)12-13-8-6-5-7-9-13;;/h5-8H,3-4,10-12H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);N-(phenylmethyl)-N-propylpropan-1-amine?
bromozinc(1+);N-(phenylmethyl)-N-propylpropan-1-amine has a molecular weight of 335.60 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);N-(phenylmethyl)-N-propylpropan-1-amine is sourced from PubChem (CID 146001766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).